chempirical

Ethyl 3-methylpyrazole-4-carboxylate

C7H10N2O2CAS 85290-78-4154.17 g/mol

Open in Covalent MOL file
OONHN
Ester

Properties

Molecular formula
C7H10N2O2
Molar mass
154.17 g/mol
Exact mass
154.0742 Da
Melting point
80 °C
logP
0.89Crippen estimate
Polar surface area
55.0 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
85290-78-4
SMILES
CCOC(=O)c1c[nH]nc1C
InChIKey
HHYVTIKYZUMDIL-UHFFFAOYSA-N
InChI
InChI=1S/C7H10N2O2/c1-3-11-7(10)6-4-8-9-5(6)2/h4H,3H2,1-2H3,(H,8,9)

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Names and synonyms

5 names
  • 1H-Pyrazole-4-carboxylic acid, 3-methyl-, ethyl ester
  • Pyrazole-4-carboxylic acid, 3(or 5)-methyl-, ethyl ester
  • Ethyl 3-methyl-1H-pyrazole-4-carboxylate
  • 3-Methyl-1H-pyrazole-4-carboxylic acid ethyl ester
  • NSC 19454

Work with Ethyl 3-methylpyrazole-4-carboxylate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ethyl 1H-pyrazole-4-carboxylate37622-90-554 % similar Ethyl 2-methyl-3-pyridinecarboxylate1721-26-254 % similar 4-Carbethoxy-5-methylimidazole51605-32-451 % similar Ethyl 5-bromo-2-methylpyridine-3-carboxylate129477-21-050 % similar Diethyl phthalate84-66-250 % similar Ethyl 4-methylthiazole-5-carboxylate20582-55-249 % similar Ethyl 3-amino-1H-pyrazole-4-carboxylate6994-25-848 % similar Ethyl 2-methylbenzoate87-24-148 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Ethyl 2-amino-1H-pyrrole-3-carboxylate108290-86-4 N,N'-Methylenebisacrylamide110-26-9 1,3,5-Trimethyl-1H-pyrazole-4-carboxylic acid1125-29-7 4,6-Dimethoxy-2-methylpyrimidine13566-48-8 4-(Cyanoacetyl)morpholine15029-32-0 3,5-Dimethyl-1H-pyrazole-1-acetic acid16034-49-4 Ethyl 1-methylimidazole-2-carboxylate30148-21-1 5-Methyl-1H-pyrazole-3-carboxylic acid ethyl ester4027-57-0

Elsewhere

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